General
Preferred name
CMPD101
Synonyms
PMID21596927C101 ()
compound 101 [PMID: 21596927] ()
P&D ID
PD050468
CAS
865608-11-3
Tags
available
drug candidate
Drug indication
Discovery agent
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
CMPD101 is a potent, highly selective and membrane-permeable small-molecule inhibitor of GRK2/3 with IC50 of 18 nM and 5.4 nM, respectively. CMPD101 exhibits less selectively against GRK1, GRK5, ROCK-2 and PKC¦Á with IC50s of 3.1 ¦ÌM , 2.3 ¦ÌM, 1.4 ¦ÌM and 8.1 ¦ÌM, respectively. CMPD101 can be used for the study of heart failure[1].
PRICE
196
DESCRIPTION
CMPD101 is a membrane-permeable small-molecule inhibitor of GRK2/3 (IC50: 18 nM and 5.4 nM). Which can be used for the study of heart failure. CMPD101 exhibits less selectively against GRK1, GRK5, ROCK-2 and PKC?? with IC50s of 3.1 ??M , 2.3 ??M, 1.4 ??M and 8.1 ??M, respectively.
DESCRIPTION
Compound 101 is an inhibitor of the beta adrenergic receptor kinase 1 (aka GRK2, gene symbol ADRBK1) and beta adrenergic receptor kinase 2 (aka GRK3, gene symbol ADRBK2) . Compound 101 is one of the chemical structures covered by patent WO2007034846 A1 .
(GtoPdb)
DESCRIPTION
CMPD101 is a selective GRK2/3 inhibitor with IC50 value is 54 nM for GRK3 and 32 nM for GRK2. It shows selectivity for GRK2/3 over GRK1/5. It can also reduce DAMGO-induced desensitization and internalization of μ-opioid receptors.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
CMPD101 is a membrane-permeable small-molecule inhibitor of GRK2/3 (IC50: 18 nM and 5.4 nM). Which can be used for the study of heart failure. CMPD101 exhibits less selectively against GRK1, GRK5, ROCK-2 and PKCα with IC50s of 3.1 μM , 2.3 μM, 1.4 μM and 8.1 μM, respectively.
(TargetMol Bioactive Compound Library)
DESCRIPTION
Reversible and non-competitive CBP/p300 inhibitor
(Tocris Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
11
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
CZ-OPENSCREEN Bioactive Library
DrugMAP
EUbOPEN Chemogenomics Library
Guide to Pharmacology
Mcule NIBR MoA Box Subset
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
TargetMol Bioactive Compound Library
Tocris Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
13
Molecular Weight
466.17
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
2
Rotatable Bonds
7
Ring Count
4
Aromatic Ring Count
4
cLogP
4.44
TPSA
84.73
Fraction CSP3
0.17
Chiral centers
0.0
Largest ring
6.0
QED
0.42
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
GRK2
GRK3
PKC
PKCα
ROCK
ROCK2
G Protein-coupled Receptor Kinase (GRK)
Primary Target
Heterotrimeric G-protein GTPases
MOA
Inhibitor
beta adrenergic receptor kinase 1 and 2
Member status
member
Pathway
Cell Cycle/Checkpoint
Chromatin/Epigenetic
Cytoskeletal Signaling
GPCR/G protein
Stem Cells
Cell Cycle/DNA Damage
cytoskeleton
Epigenetics
Stem Cell/Wnt
TGF-beta/Smad
Solubility
Soluble in DMSO
Recommended Cell Concentration
None
Source data
